| Phytochemical Name : Pheophytin b |
| PCNDIDP0091 |
| Pubchem CID : 135407446 |
| Molecular formula: C55H72N4O6 |
| Canonical SMILES : CCC1=C2C=C3C(=C4C(=O)C(C(=C5C(C(C(=CC6=NC(=CC(=N2)C1=CO)C(=C6C)C=C)N5)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C4=N3)C(=O)OC)C |
Synonymes : pheophytin b|EINECS 221-565-1|UNII-VJ9SZL3T3Y|VJ9SZL3T3Y|3147-18-0|methyl (3R,12E,21S,22S)-16-ethenyl-11-ethyl-12-(hydroxymethylidene)-17,21,26-trimethyl-4-oxo-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5(26),6,8,10,13(25),14,16,18(24),19-decaene-3-carboxylate|3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-, (2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl ester, (3S,4S,21R)-|C55H72N4O6|C55-H72-N4-O6|3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-, (2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl ester, (3S,4S,21R)-|CHLOROPHYLLIC ACID B|SCHEMBL417572|3,7,11,15-tetramethylhexadec-2-en-1-yl [3S[3alpha(2E,7S*,11S*),4beta,21beta-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-9-vinylphorbine-3-propionate|3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-, 3,7,11,15-tetramethyl-2-hexadecenyl ester, [3S-[3.alpha.(2E,7S*,11S*),4.beta.,21.beta.]]-|BP163722|3,7,11,15-Tetramethylhexadec-2-en-1-yl (3S(3alpha(2E,7S*,11S*),4beta,21beta)-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-9-vinylphorbine-3-propionate |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 7.130 |
| Log Po/w (XLOGP3) : 11.000 |
| Log Po/w (WLOGP) : 10.610 |
| Log Po/w (MLOGP) : 4.120 |
| Log Po/w (SILICOS-IT) : 13.900 |
| Consensus Log Po/w : 9.350 |